Chemical ID: 7083411

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC=C)CCN5CCOCC5
Chemical ID:
7083411
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC=C)CCN5CCOCC5
InChi [?]:
InChI=1/C27H28N2O5/c1-3-14-33-20-7-5-19(6-8-20)24-23-25(30)21-17-18(2)4-9-22(21)34-26(23)27(31)29(24)11-10-28-12-15-32-16-13-28/h3-9,17,24H,1,10-16H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,3,18,22,19,21,4,28,27,30,34,24,31,33,7,2,17,20,6,5,10,16,8,11,13,29,15,9,14,32,23,12/E:(5,6)(7,8)(12,13)(15,16)/rA:34cCCCCCCCCOCCOCONCCCCCCCOCCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s15;s27;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O5
All Atoms:62
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.1735
Area:686.07
Solvation:-5.97822
Coulombic:-57.2253
Bond Count [?]
All:38
Single:28
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:460.522
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):3.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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